N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide

C13H13ClN2OS2 — CID 5412323

IUPACN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESC/C(=N\NC(=O)c1csc(C)c1C)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2OS2/c1-7-9(3)18-6-10(7)13(17)16-15-8(2)11-4-5-12(14)19-11/h4-6H,1-3H3,(H,16,17)/b15-8+
InChIKeyCVNSAKWEPIAVNF-OVCLIPMQSA-N
MW312.85 g/mol
LogP4.23
Rot. Bonds3

About N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide

N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 5412323) has the molecular formula C13H13ClN2OS2 and a molecular weight of 312.85 g/mol. Its IUPAC name is N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID5412323
Molecular FormulaC13H13ClN2OS2
Molecular Weight312.85 g/mol
Exact Mass312.02
IUPAC NameN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESC/C(=N\NC(=O)c1csc(C)c1C)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN2OS2/c1-7-9(3)18-6-10(7)13(17)16-15-8(2)11-4-5-12(14)19-11/h4-6H,1-3H3,(H,16,17)/b15-8+
InChIKeyCVNSAKWEPIAVNF-OVCLIPMQSA-N
XLogP4.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-thiophen-2-ylethylideneamino]thiophene-2-carboxamide
CID 6386111
4,5-dimethyl-N'-[1-(2-thienyl)propylidene]-3-thiophenecarbohydrazide
CID 5412332
4,5-dimethyl-N'-[1-(2-thienyl)butylidene]-3-thiophenecarbohydrazide
CID 6112937
4-ethyl-5-methyl-N'-(3-thienylmethylene)-3-thiophenecarbohydrazide
CID 6162882
N'-[(5-chloro-2-thienyl)methylene]-4,5-dimethyl-3-thiophenecarbohydrazide
CID 6875172
4-chloro-N-[1-(2-thienyl)ethylideneamino]benzamide
CID 5829177
N-[(Z)-1-(5-chlorothiophen-2-yl)butylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6521560
N-[(E)-[(E)-1-(4-chlorophenyl)-3-(4-methylphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
CID 118706233
4,5-dimethyl-N'-(3-thienylmethylene)-3-thiophenecarbohydrazide
CID 6875163
4,5-dimethyl-N'-[1-(5-methyl-2-thienyl)ethylidene]-3-thiophenecarbohydrazide
CID 9563585
N'-[(5-chloro-2-thienyl)methylene]-2-thiophenecarbohydrazide
CID 5411749
N-(1-thiophen-2-ylethylideneamino)-2-thiophenecarboxamide
CID 4602276

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide (CID 5412323) is N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide is C/C(=N\NC(=O)c1csc(C)c1C)c1ccc(Cl)s1.
What is the InChIKey of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is CVNSAKWEPIAVNF-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H13ClN2OS2/c1-7-9(3)18-6-10(7)13(17)16-15-8(2)11-4-5-12(14)19-11/h4-6H,1-3H3,(H,16,17)/b15-8+.
What are the key properties of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide?
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 312.85 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 5412323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).